SOLUTION STRUCTURE OF cis(C2-P3) trans (D5-P6) FORM OF lO959 IN WATER
Polymer type: polypeptide(L)
Total | 1H | |
---|---|---|
All | 81.6 % (40 of 49) | 81.6 % (40 of 49) |
Backbone | 86.7 % (13 of 15) | 86.7 % (13 of 15) |
Sidechain | 79.4 % (27 of 34) | 79.4 % (27 of 34) |
Aromatic | 58.3 % (7 of 12) | 58.3 % (7 of 12) |
1. ctLO959W
GCPWDPWCSolvent system 90% H2O/10% D2O, Temperature 303 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~2 mM | |
2 | ctLO959W | natural abundance | 0.0 ~ 0.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 303 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~2 mM | |
2 | ctLO959W | natural abundance | 0.0 ~ 0.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 303 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~2 mM | |
2 | ctLO959W | natural abundance | 0.0 ~ 0.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 303 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~2 mM | |
2 | ctLO959W | natural abundance | 0.0 ~ 0.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 303 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~2 mM | |
2 | ctLO959W | natural abundance | 0.0 ~ 0.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19132_2m6g.nef |
Input source #2: Coordindates | 2m6g.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | True (see coordinates for details) |
Whether the assembly has a other bond | True (see coodinates for details) |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Error |
Disulfide bonds
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
A:2:CYS:SG | A:8:CYS:SG | unknown | unknown | 2.1 |
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:3:PRO:C | 1:4:DTR:N | unknown | unknown | n/a |
1:4:DTR:C | 1:5:ASP:N | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
A | 4 | DTR | D-TRYPTOPHAN | Distance restraints, Torsion angle restraints, Coordinates |
Sequence alignments
-------- GCPXDPWC |||||||| GCPXDPWC
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 8 | 0 | 0 | 100.0 |
Content subtype: combined_19132_2m6g.nef
Assigned chemical shifts
Covalent bonds
Distance restraints
Dihedral angle restraints
-------- GCPXDPWC || |||| GC.XDPW -------